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2-(3-(4-Fluorophenyl)-1H-1,2,4-triazol-5-yl)acetonitrile

HCID 50877458
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Basic information

Standard SMILES
N#CCc1nc(-c2ccc(F)cc2)n[nH]1
InChIKey
NSYJTRSFUSGISW-UHFFFAOYSA-N
Molecular formula
C10H7FN4
Average molar mass
202.19 g/mol
Monoisotopic mass
202.0654744

Names & identifiers

Preferred name
2-(3-(4-Fluorophenyl)-1H-1,2,4-triazol-5-yl)acetonitrile
IUPAC
2-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]acetonitrile

Names & synonyms

2-(3-(4-Fluorophenyl)-1H-1,2,4-triazol-5-yl)acetonitrileSCHEMBL2221104NSYJTRSFUSGISW-UHFFFAOYSA-NAKOS013586790

Database identifiers

PubChem CID
50877458

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
65.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
15
Formal charge
0
Complexity
253

Related reactions

1 records
New reaction record
HRID 1397319 reaction equation
HRID 1397319As productuspto-grants-2014_12

Compound notes

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